CID 126961215

2-chloro-2-(4-chloro-5-oxo-2h-furan-2-yl)acetate

Structural Information

Molecular Formula
C6H4Cl2O4
SMILES
C1=C(C(=O)OC1C(C(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1,3-4H,(H,9,10)
InChIKey
CQADNSGGFXZZFU-UHFFFAOYSA-N
Compound name
2-chloro-2-(4-chloro-5-oxo-2H-furan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.94867 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.955946 136.0
[M+Na]+ 232.937888 145.9
[M-H]- 208.941394 139.0
[M+NH4]+ 227.982493 155.9
[M+K]+ 248.911828 143.2
[M+H-H2O]+ 192.945930 133.5
[M+HCOO]- 254.946871 148.0
[M+CH3COO]- 268.962521 179.3
[M+Na-2H]- 230.923336 138.3
[M]+ 209.94812142 139.5
[M]- 209.94921858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.